test_exchange_asymmetric.cc File Reference

tests the exchange operator with bra, ket and vf all distinct More...

#include <madness/chem/exchangeoperator.h>
#include <madness/chem/SCFOperators.h>
#include <madness/world/test_utilities.h>
#include <vector>

Include dependency graph for test_exchange_asymmetric.cc:

Functions
int	main (int argc, char **argv)
int	test_generic_exchange (World &world)
	K with bra, ket and vf distinct, and nf != nocc, against the smallmem reference.
int	test_weighted_bra_exchange (World &world)
	nemo's shape: bra = w * ket with vf == ket, which keeps the symmetric task list

Detailed Description

tests the exchange operator with bra, ket and vf all distinct

Function Documentation

main()

int main	(	int	argc,
		char **	argv )

References madness::WorldGopInterface::fence(), madness::finalize(), madness::World::get_default(), madness::World::gop, madness::initialize(), madness::print(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::startup(), test_generic_exchange(), and test_weighted_bra_exchange().

test_generic_exchange()

int test_generic_exchange

(

World &

world

)

K with bra, ket and vf distinct, and nf != nocc, against the smallmem reference.

References madness::test_output::checkpoint(), madness::test_output::end(), f, madness::FunctionDefaults< NDIM >::get_thresh(), lo, madness::Exchange< T, NDIM >::multiworld_efficient, madness::norm2(), madness::print(), madness::World::rank(), and madness::Exchange< T, NDIM >::small_memory.

Referenced by main().

test_weighted_bra_exchange()

int test_weighted_bra_exchange

(

World &

world

)

nemo's shape: bra = w * ket with vf == ket, which keeps the symmetric task list

References madness::test_output::checkpoint(), madness::test_output::end(), madness::exchange_same_operands(), f, madness::FunctionDefaults< NDIM >::truncate_on_project, madness::FunctionFactory< T, NDIM >::functor(), madness::FunctionDefaults< NDIM >::get_thresh(), lo, madness::mul(), madness::Exchange< T, NDIM >::multiworld_efficient, madness::norm2(), madness::print(), madness::World::rank(), madness::Exchange< T, NDIM >::small_memory, madness::truncate(), and weight().

Referenced by main().